SCHEMBL790554

SCHEMBL790554

C[Si](C)(C)C#CCCCCOS(C)(=O)=O

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.56
USP2 O75604 1/20 0.56
ALDH1A1 P00352 1/20 0.56
LMNA P02545 1/20 0.56
MMP9 P14780 1/20 0.56
ALOX15 P16050 1/20 0.56
TSHR P16473 1/20 0.56
CA1 P00915 8/20 0.31
CA2 P00918 8/20 0.31
CA9 Q16790 8/20 0.31
CA12 O43570 2/20 0.30
CA3 P07451 2/20 0.30
CA4 P22748 2/20 0.30
CA6 P23280 2/20 0.30
CA5A P35218 2/20 0.30
CA7 P43166 2/20 0.30
CA14 Q9ULX7 2/20 0.30
CA5B Q9Y2D0 2/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL23014933 0.98 TSHR (0.54) KDM4EUSP2ALDH1A1LMNAMMP9
SCHEMBL23014988 0.98 TSHR (0.54) KDM4EUSP2ALDH1A1LMNAMMP9
SCHEMBL789504 0.94 KDM4E (0.52) KDM4EUSP2ALDH1A1LMNAMMP9
SCHEMBL791108 0.86 USP2 (0.44) KDM4EUSP2ALDH1A1LMNAMMP9
SCHEMBL31387771 0.80 KDM4E (0.48) KDM4EUSP2ALDH1A1LMNAMMP9
SCHEMBL18063438 0.78 CA2 (0.50) CA1CA2CA9CA12CA3
SCHEMBL10727268 0.77 TSHR (0.60) KDM4EUSP2ALDH1A1LMNAMMP9
SCHEMBL13204670 0.76 TSHR (0.58) KDM4EUSP2ALDH1A1LMNAMMP9
SCHEMBL9556429 0.76 TSHR (0.58) KDM4EUSP2ALDH1A1LMNAMMP9
Busulfan SCHEMBL4764696 0.74 TSHR (1.00) KDM4EUSP2ALDH1A1LMNAMMP9

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8921328-B2 E-selectin antagonists GLYCOMIMETICS, INC. (US) 2014-12-30 US disclosed
US-20130331350-A1 E-SELECTIN ANTAGONISTS GLYCOMIMETICS, INC. (US) 2013-12-12 US disclosed
WO-2012037034-A1 E-SELECTIN ANTAGONISTS GLYCOMIMETICS, INC. (US) 2012-03-22 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20130331350-A1 E-SELECTIN ANTAGONISTS SELE, SELP, SELPLG KDM4E 3712/4885USP2 4236/4885ALDH1A1 891/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.